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Krypton difluoride


Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
13.06PEBrundle and Jones, 1972LLK
13.34PEBrundle and Jones, 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
FKr+~13.38FPIBerkowitz and Holloway, 1978LLK
KrF+13.71 ± 0.20FEISessa and McGee, 1969RDSH
Kr+11.517F+F(-)PIBerkowitz and Holloway, 1978LLK

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
J - Marilyn E. Jacox
Shim - Takehiko Shimanouchi

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx gas 210 320 Makeev, Sinyanskii, et al., 1975

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 Sym. stretch 449 gas Ra Claassen, Goodman, et al., 1965
1 Sym. stretch 452 Kr Ra Howard and Andrews, 1974
Piu 2 Bend 235.05 gas IR Claassen, Goodman, et al., 1965
Burger, Ma, et al., 1994
2 Bend 236 m Ar IR Turner and Pimentel, 1963
Sigmau+ 3 Asym. stretch 592.52 gas IR Claassen, Goodman, et al., 1965
Murchison, Reichman, et al., 1968
Burger, Kuna, et al., 1994
3 Asym. stretch 580 s Ar IR Turner and Pimentel, 1963

Additional references: Jacox, 1994, page 120; Jacox, 1998, page 209

Notes

mMedium
sStrong
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Brundle and Jones, 1972
Brundle, C.R.; Jones, G.R., Electronic structure of KrF2, studied by photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 959. [all data]

Brundle and Jones, 1971
Brundle, C.R.; Jones, G.R., The molecular orbital energy levels and bonding in krypton difluoride, Chem. Commun., 1971, 1198. [all data]

Berkowitz and Holloway, 1978
Berkowitz, J.; Holloway, J.H., Photoionization mass spectrometric study of KrF2, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 2077. [all data]

Sessa and McGee, 1969
Sessa, P.A.; McGee, H.A., Jr., Mass spectrum and molecular energetics of krypton difluoride, J. Phys. Chem., 1969, 73, 2078. [all data]

Makeev, Sinyanskii, et al., 1975
Makeev, G.N.; Sinyanskii, V.F.; Smirnov, B.M., Dokl. Akad. Nauk SSSR, 1975, 222, 151. [all data]

Claassen, Goodman, et al., 1965
Claassen, H.H.; Goodman, G.L.; Malm, J.G.; Schreiner, F., Infrared and Raman Spectra of Krypton Difluoride, J. Chem. Phys., 1965, 42, 4, 1229, https://doi.org/10.1063/1.1696102 . [all data]

Howard and Andrews, 1974
Howard, W.F., Jr.; Andrews, L., Synthesis of noble-gas dihalides by laser photolysis of matrix-isolated halogens, J. Am. Chem. Soc., 1974, 96, 26, 7864, https://doi.org/10.1021/ja00833a004 . [all data]

Burger, Ma, et al., 1994
Burger, H.; Ma, S.; Winnewisser, B.P., High-Resolution FTIR Investigation of the «nu»2 Band of KrF2 and XeF2, J. Mol. Spectrosc., 1994, 164, 1, 84, https://doi.org/10.1006/jmsp.1994.1058 . [all data]

Turner and Pimentel, 1963
Turner, J.J.; Pimentel, G.C., Krypton Fluoride: Preparation by the Matrix Isolation Technique, Science, 1963, 140, 3570, 974, https://doi.org/10.1126/science.140.3570.974-a . [all data]

Murchison, Reichman, et al., 1968
Murchison, C.; Reichman, S.; Anderson, D.; Overend, J.; Schreiner, F., Structure of krypton difluoride, J. Am. Chem. Soc., 1968, 90, 21, 5690, https://doi.org/10.1021/ja01023a007 . [all data]

Burger, Kuna, et al., 1994
Burger, H.; Kuna, R.; Ma, S.; Breidung, J.; Thiel, W., The vibrational spectra of krypton and xenon difluoride: High-resolution infrared studies and ab initio calculations, J. Chem. Phys., 1994, 101, 1, 1, https://doi.org/10.1063/1.468170 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]


Notes

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